#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nr2 s GLN 2 N 0.00 3.98 0.44 3.17 0.74 -1.26 -0.62 119.66 126.11 2nr2 s GLN 2 Ca 0.00 -0.33 0.03 0.00 0.05 0.00 0.00 55.36 55.11 2nr2 s GLN 2 Cb 0.00 -3.31 -0.03 0.00 1.10 0.00 0.00 33.01 30.77 2nr2 s GLN 2 CO 0.00 0.18 0.06 0.96 -0.55 0.00 0.00 175.29 175.93 2nr2 s ILE 3 N 0.66 1.04 0.17 -2.34 -4.36 0.16 -0.20 121.20 116.34 2nr2 s ILE 3 Ca 0.05 -2.00 0.11 0.00 -0.26 0.00 0.00 60.65 58.55 2nr2 s ILE 3 Cb -0.13 -2.38 -0.04 0.00 1.25 0.00 0.00 42.46 41.16 2nr2 s ILE 3 CO 0.01 0.00 -0.25 -0.36 0.24 0.00 0.00 174.94 174.59 2nr2 s PHE 4 N -3.03 2.25 -0.06 1.37 0.08 0.53 -2.10 117.98 117.03 2nr2 s PHE 4 Ca 0.19 -0.37 -0.00 0.00 0.12 0.00 0.00 56.93 56.86 2nr2 s PHE 4 Cb 0.04 -1.16 0.03 0.00 -0.57 0.00 0.00 43.02 41.36 2nr2 s PHE 4 CO 0.10 0.43 -0.01 0.08 -0.10 0.00 0.00 175.22 175.72 2nr2 s VAL 5 N -1.47 0.38 -0.14 -0.44 1.01 -0.02 -0.60 120.40 119.12 2nr2 s VAL 5 Ca 0.18 0.05 -0.04 0.00 0.00 0.00 0.00 61.98 62.17 2nr2 s VAL 5 Cb -0.09 -0.49 -0.03 0.00 0.00 0.00 0.00 36.38 35.77 2nr2 s VAL 5 CO 0.08 0.23 0.01 -0.75 0.00 0.00 0.00 175.10 174.67 2nr2 s LYS 6 N 1.51 3.53 0.41 2.72 2.20 -0.23 0.38 119.74 130.27 2nr2 s LYS 6 Ca -0.02 -0.43 0.03 0.00 -0.36 0.00 0.00 55.97 55.19 2nr2 s LYS 6 Cb -0.13 -2.96 -0.00 0.00 -1.51 0.00 0.00 37.83 33.22 2nr2 s LYS 6 CO -0.03 0.41 0.60 0.95 -0.36 0.00 0.00 175.35 176.92 2nr2 s THR 7 N -0.07 3.88 0.23 3.43 -4.23 0.58 -0.31 115.64 119.16 2nr2 s THR 7 Ca 0.04 -0.71 0.13 0.00 -1.18 0.00 0.00 61.69 59.97 2nr2 s THR 7 Cb -0.13 -3.40 0.03 0.00 1.34 0.00 0.00 72.50 70.35 2nr2 s THR 7 CO 0.02 -0.23 1.66 -0.07 -0.54 0.00 0.00 174.62 175.46 2nr2 h LEU 8 N 0.56 0.00 -0.38 4.79 3.38 -1.89 -3.22 115.31 118.56 2nr2 h LEU 8 Ca -0.45 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.39 2nr2 h LEU 8 Cb 1.26 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.99 2nr2 h LEU 8 CO 0.55 0.53 -0.58 0.71 0.09 0.00 0.00 178.44 179.73 2nr2 h THR 9 N 0.00 1.12 0.00 0.22 1.35 -1.95 -3.47 112.91 110.17 2nr2 h THR 9 Ca -0.01 -2.25 0.00 0.00 -0.55 0.00 0.00 66.41 63.60 2nr2 h THR 9 Cb 1.02 2.33 0.00 0.00 -1.73 0.00 0.00 68.15 69.77 2nr2 h THR 9 CO 0.07 0.57 0.00 0.61 -0.25 0.00 0.00 175.52 176.52 2nr2 n GLY 10 N 0.83 0.96 3.53 5.82 0.00 -1.22 -5.15 105.19 109.97 2nr2 n GLY 10 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 2nr2 n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2nr2 s LYS 11 N 0.08 3.31 -0.31 1.61 2.20 -1.26 -4.95 119.74 120.42 2nr2 s LYS 11 Ca 0.00 -0.54 0.01 0.00 -0.36 0.00 0.00 55.97 55.08 2nr2 s LYS 11 Cb 0.00 -2.78 0.07 0.00 -1.51 0.00 0.00 37.83 33.61 2nr2 s LYS 11 CO 0.00 0.41 0.00 0.99 -0.36 0.00 0.00 175.35 176.39 2nr2 s THR 12 N -0.10 2.66 0.08 3.43 2.01 -1.26 -0.31 115.64 122.15 2nr2 s THR 12 Ca 0.02 -1.72 -0.24 0.00 0.31 0.00 0.00 61.69 60.06 2nr2 s THR 12 Cb -0.13 -2.65 -0.06 0.00 0.01 0.00 0.00 72.50 69.66 2nr2 s THR 12 CO 0.03 -0.24 0.73 -0.63 -0.69 0.00 0.00 174.62 173.81 2nr2 s ILE 13 N 1.13 4.63 -0.31 1.82 1.01 0.16 -4.91 121.20 124.73 2nr2 s ILE 13 Ca -0.02 1.57 -0.16 0.00 0.00 0.00 0.00 60.65 62.04 2nr2 s ILE 13 Cb -0.20 -4.08 -0.02 0.00 0.01 0.00 0.00 42.46 38.17 2nr2 s ILE 13 CO -0.04 0.44 0.40 -0.89 0.00 0.00 0.00 174.94 174.85 2nr2 s THR 14 N -0.54 5.14 -0.02 2.92 2.01 -1.26 -0.84 115.64 123.04 2nr2 s THR 14 Ca 0.36 0.35 0.04 0.00 0.31 0.00 0.00 61.69 62.75 2nr2 s THR 14 Cb -0.21 -3.80 -0.01 0.00 0.01 0.00 0.00 72.50 68.50 2nr2 s THR 14 CO 0.23 -0.01 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.26 2nr2 s LEU 15 N 2.12 1.94 -0.20 4.42 1.43 -0.89 -4.99 118.68 122.50 2nr2 s LEU 15 Ca 0.15 -0.26 -0.11 0.00 -1.03 0.00 0.00 54.13 52.88 2nr2 s LEU 15 Cb -0.16 -0.75 -0.05 0.00 0.03 0.00 0.00 46.19 45.26 2nr2 s LEU 15 CO 0.11 0.14 0.16 -1.61 0.23 0.00 0.00 176.35 175.38 2nr2 s GLU 16 N -0.11 4.17 0.29 1.70 2.02 -1.26 0.41 118.70 125.92 2nr2 s GLU 16 Ca 0.01 -0.19 0.02 0.00 0.02 0.00 0.00 54.97 54.84 2nr2 s GLU 16 Cb -0.08 -3.45 -0.04 0.00 0.10 0.00 0.00 34.13 30.66 2nr2 s GLU 16 CO 0.00 0.23 0.13 0.14 0.02 0.00 0.00 175.26 175.79 2nr2 s VAL 17 N 0.55 0.46 0.21 2.63 -7.23 0.21 -4.96 120.40 112.27 2nr2 s VAL 17 Ca 0.09 -2.00 0.11 0.00 -1.81 0.00 0.00 61.98 58.37 2nr2 s VAL 17 Cb -0.12 -2.56 -0.04 0.00 0.56 0.00 0.00 36.38 34.22 2nr2 s VAL 17 CO 0.00 0.00 -0.17 -1.61 -0.31 0.00 0.00 175.10 173.01 2nr2 s GLU 18 N -3.90 1.76 0.00 4.82 0.41 -1.26 0.42 118.70 120.95 2nr2 s GLU 18 Ca 0.36 -1.50 0.20 0.00 -0.41 0.00 0.00 54.97 53.63 2nr2 s GLU 18 Cb 0.06 -1.94 0.98 0.00 -1.78 0.00 0.00 34.13 31.45 2nr2 s GLU 18 CO 0.16 0.39 1.65 -0.35 -0.49 0.00 0.00 175.26 176.62 2nr2 n PRO 19 N -0.07 0.19 0.00 0.39 -0.04 -1.26 -1.24 135.00 132.97 2nr2 n PRO 19 Ca -0.10 0.11 0.12 0.00 -0.04 0.00 0.00 63.50 63.60 2nr2 n PRO 19 Cb 0.57 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.71 2nr2 n PRO 19 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2nr2 n SER 20 N -1.36 2.50 -4.80 3.54 3.41 -1.26 -1.41 113.62 114.25 2nr2 n SER 20 Ca 0.08 -1.80 -0.34 0.00 -0.26 0.00 0.00 58.87 56.55 2nr2 n SER 20 Cb 0.19 0.06 -0.05 0.00 -0.26 0.00 0.00 64.21 64.15 2nr2 n SER 20 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2nr2 s ASP 21 N -2.08 6.67 0.60 4.04 1.01 -0.37 -4.84 116.67 121.71 2nr2 s ASP 21 Ca 0.29 1.87 -0.06 0.00 0.71 0.00 0.00 52.55 55.36 2nr2 s ASP 21 Cb 0.20 -2.56 0.01 0.00 1.01 0.00 0.00 42.92 41.58 2nr2 s ASP 21 CO 0.35 -0.55 0.92 0.42 0.21 0.00 0.00 175.17 176.52 2nr2 s THR 22 N -1.96 3.55 0.29 -1.27 -4.23 -1.26 -1.78 115.64 108.98 2nr2 s THR 22 Ca 0.63 0.01 0.14 0.00 -1.18 0.00 0.00 61.69 61.29 2nr2 s THR 22 Cb -0.15 -3.42 0.07 0.00 1.34 0.00 0.00 72.50 70.34 2nr2 s THR 22 CO 0.19 -0.44 1.74 0.40 -0.54 0.00 0.00 174.62 175.97 2nr2 h ILE 23 N -0.23 1.20 -0.45 2.99 1.08 -0.67 -2.26 117.51 119.17 2nr2 h ILE 23 Ca -0.45 -1.60 0.05 0.00 -0.39 0.00 0.00 64.86 62.46 2nr2 h ILE 23 Cb 1.26 1.89 -0.05 0.00 -3.07 0.00 0.00 36.82 36.86 2nr2 h ILE 23 CO 0.61 0.44 0.20 -0.08 -0.69 0.00 0.00 178.15 178.62 2nr2 h GLU 24 N 0.00 0.38 -0.40 2.37 4.81 -1.57 -1.12 114.58 119.05 2nr2 h GLU 24 Ca -0.00 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.10 2nr2 h GLU 24 Cb 0.86 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.14 2nr2 h GLU 24 CO 0.06 0.25 -0.18 -0.97 -0.73 0.00 0.00 179.01 177.44 2nr2 h ASN 25 N 0.39 0.77 -0.19 1.04 -0.73 -1.81 0.30 115.58 115.35 2nr2 h ASN 25 Ca 0.21 -0.26 -0.04 0.00 1.87 0.00 0.00 56.30 58.08 2nr2 h ASN 25 Cb 0.16 -0.21 -0.01 0.00 0.27 0.00 0.00 38.32 38.53 2nr2 h ASN 25 CO -0.18 0.95 -0.02 0.58 -0.37 0.00 0.00 177.43 178.39 2nr2 h VAL 26 N 0.68 1.27 -0.90 2.57 2.07 -1.28 -2.25 116.25 118.40 2nr2 h VAL 26 Ca 0.10 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.69 2nr2 h VAL 26 Cb 0.68 1.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.90 2nr2 h VAL 26 CO 0.05 0.28 0.56 0.11 0.02 0.00 0.00 177.57 178.60 2nr2 h LYS 27 N 0.10 1.21 0.00 1.57 1.57 -0.91 -1.97 116.57 118.13 2nr2 h LYS 27 Ca 0.05 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2nr2 h LYS 27 Cb 0.43 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.48 2nr2 h LYS 27 CO 0.01 0.83 0.00 0.00 -0.57 0.00 0.00 179.45 179.72 2nr2 h ALA 28 N 1.39 1.00 0.07 3.86 0.00 0.11 0.13 119.26 125.83 2nr2 h ALA 28 Ca 0.33 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.95 2nr2 h ALA 28 Cb -0.09 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2nr2 h ALA 28 CO -0.06 0.00 -1.51 -0.22 0.00 0.00 0.00 179.25 177.45 2nr2 h LYS 29 N 0.00 0.15 -0.15 0.00 3.64 -0.82 -2.95 116.57 116.45 2nr2 h LYS 29 Ca 0.00 -0.26 -0.03 0.00 -1.27 0.00 0.00 60.65 59.09 2nr2 h LYS 29 Cb 0.21 0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.12 2nr2 h LYS 29 CO 0.00 0.96 -0.02 0.82 -2.27 0.00 0.00 179.45 178.94 2nr2 h ILE 30 N 0.04 1.28 -0.39 2.00 2.04 -1.15 -3.32 117.51 118.02 2nr2 h ILE 30 Ca -0.22 -0.93 0.07 0.00 1.00 0.00 0.00 64.86 64.78 2nr2 h ILE 30 Cb 1.98 1.60 -0.09 0.00 -0.74 0.00 0.00 36.82 39.57 2nr2 h ILE 30 CO 0.13 0.27 -0.38 -0.61 0.00 0.00 0.00 178.15 177.57 2nr2 h GLN 31 N -0.02 -0.29 -0.71 2.37 4.15 -0.79 -1.46 115.11 118.37 2nr2 h GLN 31 Ca 0.04 0.02 0.07 0.00 0.77 0.00 0.00 58.65 59.54 2nr2 h GLN 31 Cb 0.43 0.07 -0.09 0.00 0.21 0.00 0.00 27.48 28.10 2nr2 h GLN 31 CO 0.01 -0.19 -0.42 -3.47 -1.93 0.00 0.00 178.83 172.83 2nr2 n ASP 32 N -5.42 -0.75 0.27 -0.69 2.03 -1.12 -0.31 116.55 110.57 2nr2 n ASP 32 Ca 0.00 1.26 -0.14 0.00 0.52 0.00 0.00 54.79 56.44 2nr2 n ASP 32 Cb 0.35 -0.17 -0.07 0.00 -0.72 0.00 0.00 41.12 40.51 2nr2 n ASP 32 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2nr2 h LYS 33 N 0.00 -0.68 0.10 -0.67 1.57 -1.58 -3.38 116.57 111.92 2nr2 h LYS 33 Ca 0.12 0.05 -0.19 0.00 -1.87 0.00 0.00 60.65 58.76 2nr2 h LYS 33 Cb 0.29 0.16 0.01 0.00 0.08 0.00 0.00 32.23 32.77 2nr2 h LYS 33 CO -0.67 -0.38 -0.91 0.93 -0.57 0.00 0.00 179.45 177.85 2nr2 h GLU 34 N -1.03 0.21 0.00 3.15 4.39 -1.25 -3.49 114.58 116.55 2nr2 h GLU 34 Ca -0.07 -0.35 0.00 0.00 0.34 0.00 0.00 59.36 59.28 2nr2 h GLU 34 Cb 0.62 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.40 2nr2 h GLU 34 CO 0.12 1.17 0.00 0.41 -1.16 0.00 0.00 179.01 179.55 2nr2 n GLY 35 N 1.66 0.64 3.20 -3.84 0.00 0.57 -5.07 105.19 102.37 2nr2 n GLY 35 Ca -0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 2nr2 n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2nr2 s ILE 36 N -1.27 2.02 0.42 -0.61 1.01 -1.21 -5.06 121.20 116.50 2nr2 s ILE 36 Ca 0.00 -0.99 -0.24 0.00 0.00 0.00 0.00 60.65 59.42 2nr2 s ILE 36 Cb 0.00 -1.76 -0.08 0.00 0.01 0.00 0.00 42.46 40.63 2nr2 s ILE 36 CO 0.00 0.55 1.11 -2.84 0.00 0.00 0.00 174.94 173.76 2nr2 s PRO 37 N 0.43 4.02 0.24 2.79 0.02 -1.26 -4.36 135.00 136.88 2nr2 s PRO 37 Ca -0.17 1.66 0.20 0.00 0.02 0.00 0.00 61.00 62.71 2nr2 s PRO 37 Cb -0.17 -2.53 0.94 0.00 0.02 0.00 0.00 34.50 32.75 2nr2 s PRO 37 CO 0.07 -0.30 1.61 -2.30 -0.33 0.00 0.00 177.00 175.75 2nr2 n PRO 38 N -0.16 0.14 -0.22 5.54 -0.02 -1.26 -2.58 135.00 136.43 2nr2 n PRO 38 Ca 0.05 0.50 -0.01 0.00 -2.02 0.00 0.00 63.50 62.02 2nr2 n PRO 38 Cb 0.48 -1.84 0.10 0.00 -0.02 0.00 0.00 33.50 32.22 2nr2 n PRO 38 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2nr2 h ASP 39 N 0.00 0.49 0.30 2.55 3.32 -2.00 -2.54 116.42 118.54 2nr2 h ASP 39 Ca 0.00 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.09 2nr2 h ASP 39 Cb 0.18 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.68 2nr2 h ASP 39 CO 0.00 0.31 -0.33 0.00 -1.72 0.00 0.00 179.24 177.50 2nr2 n GLN 40 N -4.83 0.61 -4.14 3.56 1.13 -1.07 -4.87 117.38 107.78 2nr2 n GLN 40 Ca 0.08 -0.36 -0.36 0.00 -1.94 0.00 0.00 57.00 54.42 2nr2 n GLN 40 Cb 0.19 -1.49 -0.08 0.00 0.11 0.00 0.00 30.24 28.97 2nr2 n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2nr2 s GLN 41 N -2.64 3.22 0.03 -1.09 -0.21 -0.96 -0.44 119.66 117.58 2nr2 s GLN 41 Ca 0.21 -0.28 0.04 0.00 0.02 0.00 0.00 55.36 55.35 2nr2 s GLN 41 Cb 0.19 -2.98 -0.02 0.00 1.00 0.00 0.00 33.01 31.20 2nr2 s GLN 41 CO 0.57 0.72 -0.13 1.03 -2.12 0.00 0.00 175.29 175.36 2nr2 s ARG 42 N -0.90 0.88 -0.16 2.91 0.52 -0.85 -4.89 118.95 116.45 2nr2 s ARG 42 Ca 0.14 -0.71 -0.05 0.00 -0.52 0.00 0.00 55.73 54.59 2nr2 s ARG 42 Cb -0.12 -0.86 -0.03 0.00 0.52 0.00 0.00 34.95 34.46 2nr2 s ARG 42 CO 0.03 0.21 -0.01 -0.51 0.02 0.00 0.00 175.30 175.04 2nr2 s LEU 43 N -1.08 3.42 -0.06 2.53 1.43 -1.26 -1.76 118.68 121.91 2nr2 s LEU 43 Ca 0.01 -0.06 0.02 0.00 -1.03 0.00 0.00 54.13 53.07 2nr2 s LEU 43 Cb -0.08 -1.83 -0.03 0.00 0.03 0.00 0.00 46.19 44.28 2nr2 s LEU 43 CO 0.01 0.18 -0.11 -0.63 0.23 0.00 0.00 176.35 176.03 2nr2 s ILE 44 N 0.31 3.39 -0.22 -0.59 -1.09 0.26 -1.61 121.20 121.64 2nr2 s ILE 44 Ca -0.02 -0.61 -0.11 0.00 -2.23 0.00 0.00 60.65 57.69 2nr2 s ILE 44 Cb -0.14 -2.36 0.08 0.00 -1.58 0.00 0.00 42.46 38.46 2nr2 s ILE 44 CO 0.02 0.59 0.52 0.12 -1.23 0.00 0.00 174.94 174.96 2nr2 s PHE 45 N -0.78 -0.86 -1.47 3.97 5.36 -0.87 0.08 117.98 123.41 2nr2 s PHE 45 Ca 0.12 1.70 -0.03 0.00 -0.96 0.00 0.00 56.93 57.76 2nr2 s PHE 45 Cb -0.11 0.44 0.00 0.00 -0.34 0.00 0.00 43.02 43.02 2nr2 s PHE 45 CO 0.01 -0.46 0.44 0.00 -1.46 0.00 0.00 175.22 173.75 2nr2 n ALA 46 N 4.63 -0.82 0.00 11.12 0.00 -1.26 -2.89 120.51 131.29 2nr2 n ALA 46 Ca -0.18 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2nr2 n ALA 46 Cb 0.55 -3.28 0.00 0.00 0.00 0.00 0.00 19.45 16.72 2nr2 n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2nr2 n GLY 47 N -1.37 2.99 3.89 0.00 0.00 -1.26 -5.00 105.19 104.44 2nr2 n GLY 47 Ca -0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 2nr2 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2nr2 s LYS 48 N -0.07 3.62 -0.21 1.61 1.02 -1.14 -5.05 119.74 119.52 2nr2 s LYS 48 Ca 0.00 -0.07 -0.22 0.00 0.02 0.00 0.00 55.97 55.70 2nr2 s LYS 48 Cb 0.00 -2.90 -0.02 0.00 -0.52 0.00 0.00 37.83 34.39 2nr2 s LYS 48 CO 0.00 0.51 0.68 -1.14 -0.92 0.00 0.00 175.35 174.48 2nr2 s GLN 49 N -2.44 4.19 0.75 1.68 0.74 -1.26 -2.04 119.66 121.28 2nr2 s GLN 49 Ca 0.38 0.70 -0.11 0.00 0.05 0.00 0.00 55.36 56.38 2nr2 s GLN 49 Cb -0.13 -3.61 0.04 0.00 1.10 0.00 0.00 33.01 30.42 2nr2 s GLN 49 CO 0.23 -0.33 1.08 -0.51 -0.55 0.00 0.00 175.29 175.20 2nr2 s LEU 50 N 2.23 2.87 0.24 3.68 1.43 -0.64 -5.03 118.68 123.46 2nr2 s LEU 50 Ca 0.30 1.52 0.08 0.00 -1.03 0.00 0.00 54.13 55.00 2nr2 s LEU 50 Cb -0.16 -4.25 -0.04 0.00 0.03 0.00 0.00 46.19 41.77 2nr2 s LEU 50 CO 0.10 -1.78 0.10 -1.61 0.23 0.00 0.00 176.35 173.38 2nr2 s GLU 51 N -5.06 2.63 -0.05 1.70 2.02 -1.26 -4.72 118.70 113.95 2nr2 s GLU 51 Ca 0.60 -1.19 -0.14 0.00 0.02 0.00 0.00 54.97 54.25 2nr2 s GLU 51 Cb -0.15 -2.39 -0.09 0.00 0.10 0.00 0.00 34.13 31.60 2nr2 s GLU 51 CO 0.55 0.40 0.59 -0.44 0.02 0.00 0.00 175.26 176.37 2nr2 h ASP 52 N 1.82 -0.32 0.00 -0.19 5.19 -1.98 -3.30 116.42 117.64 2nr2 h ASP 52 Ca -0.47 -0.09 -0.06 0.00 -0.62 0.00 0.00 57.03 55.80 2nr2 h ASP 52 Cb 1.24 0.08 -0.02 0.00 0.18 0.00 0.00 39.33 40.81 2nr2 h ASP 52 CO 0.60 0.16 -0.12 0.61 -3.12 0.00 0.00 179.24 177.37 2nr2 n GLY 53 N 0.68 2.65 3.36 2.75 0.00 -1.26 -1.54 105.19 111.83 2nr2 n GLY 53 Ca -0.06 -0.38 -0.28 0.00 0.00 0.00 0.00 46.02 45.30 2nr2 n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2nr2 s ARG 54 N 0.32 1.47 0.74 1.61 0.52 -1.24 -5.00 118.95 117.36 2nr2 s ARG 54 Ca 0.21 -1.24 -0.11 0.00 -0.52 0.00 0.00 55.73 54.06 2nr2 s ARG 54 Cb 0.10 -1.84 0.03 0.00 0.52 0.00 0.00 34.95 33.77 2nr2 s ARG 54 CO 0.00 0.45 1.08 0.95 0.02 0.00 0.00 175.30 177.80 2nr2 s THR 55 N -0.99 3.48 0.21 0.02 -4.23 -1.26 -1.84 115.64 111.03 2nr2 s THR 55 Ca 0.12 0.48 -0.09 0.00 -1.18 0.00 0.00 61.69 61.02 2nr2 s THR 55 Cb -0.10 -3.31 0.15 0.00 1.34 0.00 0.00 72.50 70.58 2nr2 s THR 55 CO 0.05 -0.63 1.78 -0.07 -0.54 0.00 0.00 174.62 175.21 2nr2 h LEU 56 N -0.85 0.44 -1.79 4.79 3.38 -1.43 -2.52 115.31 117.32 2nr2 h LEU 56 Ca -0.46 0.05 0.02 0.00 0.09 0.00 0.00 57.88 57.58 2nr2 h LEU 56 Cb 1.25 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 2nr2 h LEU 56 CO 0.60 0.27 0.17 0.77 0.09 0.00 0.00 178.44 180.34 2nr2 h SER 57 N 0.58 0.24 0.03 -0.43 4.64 -1.49 -1.89 113.55 115.23 2nr2 h SER 57 Ca 0.31 -0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.50 2nr2 h SER 57 Cb 0.28 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 2nr2 h SER 57 CO -0.23 0.17 -0.39 -0.78 -0.87 0.00 0.00 176.83 174.73 2nr2 h ASP 58 N 0.28 0.49 -0.01 4.97 3.58 -1.76 -2.98 116.42 121.00 2nr2 h ASP 58 Ca 0.10 -0.21 0.00 0.00 0.42 0.00 0.00 57.03 57.34 2nr2 h ASP 58 Cb 0.06 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 40.98 2nr2 h ASP 58 CO -0.02 0.83 0.00 -1.22 -2.88 0.00 0.00 179.24 175.95 2nr2 n TYR 59 N -4.04 0.00 -4.05 0.28 4.01 -0.86 -4.92 117.16 107.59 2nr2 n TYR 59 Ca -0.01 -0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.42 2nr2 n TYR 59 Cb 0.49 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.51 2nr2 n TYR 59 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2nr2 n ASN 60 N -0.65 -2.59 -4.71 7.72 5.15 -0.84 -4.97 115.26 114.38 2nr2 n ASN 60 Ca 0.22 -0.95 -0.41 0.00 -0.60 0.00 0.00 54.58 52.84 2nr2 n ASN 60 Cb 0.18 -3.15 -0.04 0.00 -0.53 0.00 0.00 39.78 36.24 2nr2 n ASN 60 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2nr2 s ILE 61 N -3.52 4.90 0.44 -1.44 1.01 -0.77 -5.02 121.20 116.80 2nr2 s ILE 61 Ca 0.46 1.84 0.03 0.00 0.00 0.00 0.00 60.65 62.98 2nr2 s ILE 61 Cb -0.24 -4.22 -0.02 0.00 0.01 0.00 0.00 42.46 37.99 2nr2 s ILE 61 CO 0.89 0.21 0.10 -1.10 0.00 0.00 0.00 174.94 175.03 2nr2 s GLN 62 N 0.84 2.02 0.77 2.79 -0.21 -1.26 -4.69 119.66 119.92 2nr2 s GLN 62 Ca 0.46 -2.26 -0.15 0.00 0.02 0.00 0.00 55.36 53.44 2nr2 s GLN 62 Cb -0.20 -0.87 0.04 0.00 1.00 0.00 0.00 33.01 32.98 2nr2 s GLN 62 CO 0.25 -0.46 1.03 0.36 -2.12 0.00 0.00 175.29 174.34 2nr2 n LYS 63 N -1.03 0.33 -1.06 2.91 2.85 -1.26 -3.38 118.16 117.52 2nr2 n LYS 63 Ca -0.10 0.18 -0.02 0.00 -1.05 0.00 0.00 58.31 57.32 2nr2 n LYS 63 Cb 0.65 -2.29 -0.01 0.00 -0.65 0.00 0.00 35.03 32.74 2nr2 n LYS 63 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2nr2 n GLU 64 N -2.42 -1.82 -3.20 -1.58 1.02 0.72 -4.93 120.64 108.44 2nr2 n GLU 64 Ca 0.13 0.54 -0.39 0.00 -0.02 0.00 0.00 57.16 57.42 2nr2 n GLU 64 Cb 0.50 -4.93 -0.05 0.00 -0.02 0.00 0.00 31.44 26.93 2nr2 n GLU 64 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2nr2 s SER 65 N -2.08 6.84 -0.36 1.62 0.15 -1.22 -4.71 113.70 113.94 2nr2 s SER 65 Ca 0.00 1.01 -0.16 0.00 0.70 0.00 0.00 55.95 57.50 2nr2 s SER 65 Cb 0.00 -2.34 -0.00 0.00 -1.71 0.00 0.00 66.02 61.96 2nr2 s SER 65 CO 0.00 -0.02 0.41 -0.89 1.20 0.00 0.00 173.24 173.94 2nr2 s THR 66 N 0.51 5.12 0.45 6.45 2.01 -1.26 -0.35 115.64 128.57 2nr2 s THR 66 Ca 0.31 0.03 -0.02 0.00 0.31 0.00 0.00 61.69 62.32 2nr2 s THR 66 Cb -0.17 -3.90 -0.02 0.00 0.01 0.00 0.00 72.50 68.43 2nr2 s THR 66 CO 0.14 -0.19 0.70 -0.76 -0.69 0.00 0.00 174.62 173.82 2nr2 s LEU 67 N 2.12 3.69 -0.16 4.42 1.43 0.23 -4.94 118.68 125.48 2nr2 s LEU 67 Ca 0.13 0.57 -0.02 0.00 -1.03 0.00 0.00 54.13 53.79 2nr2 s LEU 67 Cb -0.16 -3.46 -0.01 0.00 0.03 0.00 0.00 46.19 42.58 2nr2 s LEU 67 CO 0.12 -0.60 -0.09 -1.00 0.23 0.00 0.00 176.35 175.02 2nr2 s HIS 68 N -2.60 2.90 -0.08 0.29 3.76 0.11 -1.07 115.29 118.60 2nr2 s HIS 68 Ca 0.46 -0.67 -0.15 0.00 -0.15 0.00 0.00 55.06 54.55 2nr2 s HIS 68 Cb -0.10 -1.94 -0.05 0.00 1.11 0.00 0.00 32.58 31.60 2nr2 s HIS 68 CO 0.40 -0.28 0.39 -1.17 -0.85 0.00 0.00 174.74 173.23 2nr2 s LEU 69 N 0.68 4.36 0.13 0.89 2.96 0.57 0.90 118.68 129.18 2nr2 s LEU 69 Ca -0.05 0.79 0.06 0.00 -0.22 0.00 0.00 54.13 54.71 2nr2 s LEU 69 Cb -0.15 -2.55 -0.04 0.00 0.50 0.00 0.00 46.19 43.95 2nr2 s LEU 69 CO 0.02 0.18 -0.13 0.68 -1.32 0.00 0.00 176.35 175.78 2nr2 s VAL 70 N -0.20 1.30 -0.10 1.68 -7.23 -0.72 -3.75 120.40 111.38 2nr2 s VAL 70 Ca 0.22 -1.84 0.02 0.00 -1.81 0.00 0.00 61.98 58.57 2nr2 s VAL 70 Cb -0.15 -1.64 0.01 0.00 0.56 0.00 0.00 36.38 35.16 2nr2 s VAL 70 CO 0.10 -0.52 -0.15 -0.76 -0.31 0.00 0.00 175.10 173.46 2nr2 s LEU 71 N -2.70 1.71 0.00 1.32 1.43 -1.26 -2.02 118.68 117.16 2nr2 s LEU 71 Ca 0.12 -0.41 -0.11 0.00 -1.03 0.00 0.00 54.13 52.69 2nr2 s LEU 71 Cb -0.03 -1.07 0.15 0.00 0.03 0.00 0.00 46.19 45.28 2nr2 s LEU 71 CO 0.03 0.02 0.91 0.54 0.23 0.00 0.00 176.35 178.08 2nr2 n ARG 72 N 4.15 -0.89 -3.31 1.70 1.74 0.42 -5.03 116.66 115.45 2nr2 n ARG 72 Ca -0.19 -1.42 -0.19 0.00 -0.77 0.00 0.00 57.85 55.28 2nr2 n ARG 72 Cb 0.51 -0.94 -0.01 0.00 -1.02 0.00 0.00 32.46 31.00 2nr2 n ARG 72 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2nr2 s LEU 73 N 0.00 3.55 -0.43 0.55 1.43 -1.26 -4.98 118.68 117.54 2nr2 s LEU 73 Ca 0.52 -0.55 -0.28 0.00 -1.03 0.00 0.00 54.13 52.78 2nr2 s LEU 73 Cb -0.01 -2.38 -0.01 0.00 0.03 0.00 0.00 46.19 43.81 2nr2 s LEU 73 CO 0.36 -0.68 1.72 -0.13 0.23 0.00 0.00 176.35 177.85 2nr2 s ARG 74 N -4.23 3.19 0.00 1.70 0.52 -1.26 -1.11 118.95 117.76 2nr2 s ARG 74 Ca 0.51 1.06 0.00 0.00 -0.52 0.00 0.00 55.73 56.78 2nr2 s ARG 74 Cb -0.07 -4.21 0.00 0.00 0.52 0.00 0.00 34.95 31.19 2nr2 s ARG 74 CO 0.30 -2.04 0.00 0.41 0.02 0.00 0.00 175.30 174.00 2nr2 n GLY 75 N 5.42 0.82 0.73 -3.53 0.00 -1.26 -5.29 105.19 102.08 2nr2 n GLY 75 Ca 0.20 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.35 2nr2 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93